For a two-phase (liquid-gas) two-component (water-hydrogen) system we discuss the formulation of the possible dissolution of hydrogen in the liquid phase. The problem is formulated as a set of nonlinear partial differential equations with complementary constraints and we show how Henry’s law fits in a phase diagram. Key-words: Porous media, two-phase flow, dissolution, nuclear waste underground...

Integrated testing of the important components of a glass waste form waste package has been performed in order to gain a better understanding of the processes of radionuclide release and transport in the near field environment. Based upon an interpretation of the depth of penetration of hydrogen in reacted SRL-165 glass we have modeled the radionuclide release from the glass as a combined proce...

Antioxidants are made for the struggle and reconstruction of the damaged cells, because of their ability in destroying the free radicals. On account of their importance, a theoretical procedure was applied for the study of the molecular structure and radical scavenging activity of six hydroxyphenols which have been introduced as antioxidant compounds. All geometry structures were optimized by M...

The destabilized complex hydride system composed of LiNH2:MgH2 (1:1 molar ratio) is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of ~32 kJ/mole H2 was first predicted by Alapati et al. utilizing first principle density function theory (DFT) calculations and has been subsequently confirmed empirically by Lu et a...

The cavity of an M8 L12 cubic coordination cage can accommodate a cluster of ten water molecules in which the average number of hydrogen bonds per water molecule is 0.5 H-bonds less than it would be in the bulk solution. The presence of these "hydrogen-bond frustrated" or "high-energy" water molecules in the cavity results in the hydrophobic effect associated with guest binding being predominan...

A quantitative understanding of the mechanism of human dental enamel dissolution in buffers is important because it should lead to a clear description of the causative factors in caries formation, and it can be profitably employed in the design of meaningful screening methods for potential anti-decay agents. Gray' has reported studies on enamel dissolution, concluding that the rates of dissolut...

Atomic hydrogen (H) was introduced into steel (AISI 1018 mild steel) by controlled cathodic pre-charging. The resultant steel sample, comprising about 1 ppmw diffusible H, and a reference uncharged sample, were studied using atomic emission spectroelectrochemistry (AESEC). AESEC involved potentiodynamic polarisation in a flowing non-passivating electrolyte (0.6 M NaCl, pH 1.95) with real time r...